2,3-dihydroindol-1-yl-[5-(pyridin-4-ylmethylamino)-3-pyridinyl]methanone

C20H18N4O — CID 109235678

IUPAC2,3-dihydroindol-1-yl-[5-(pyridin-4-ylmethylamino)-3-pyridinyl]methanone
SMILESO=C(c1cncc(NCc2ccncc2)c1)N1CCc2ccccc21
InChIInChI=1S/C20H18N4O/c25-20(24-10-7-16-3-1-2-4-19(16)24)17-11-18(14-22-13-17)23-12-15-5-8-21-9-6-15/h1-6,8-9,11,13-14,23H,7,10,12H2
InChIKeyFPBLXPAIVXHBQC-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.29
Rot. Bonds4

About 2,3-dihydroindol-1-yl-[5-(pyridin-4-ylmethylamino)-3-pyridinyl]methanone

2,3-dihydroindol-1-yl-[5-(pyridin-4-ylmethylamino)-3-pyridinyl]methanone (PubChem CID 109235678) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[5-(pyridin-4-ylmethylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[5-(pyridin-4-ylmethylamino)-3-pyridinyl]methanone
PubChem CID109235678
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name2,3-dihydroindol-1-yl-[5-(pyridin-4-ylmethylamino)-3-pyridinyl]methanone
SMILESO=C(c1cncc(NCc2ccncc2)c1)N1CCc2ccccc21
InChIInChI=1S/C20H18N4O/c25-20(24-10-7-16-3-1-2-4-19(16)24)17-11-18(14-22-13-17)23-12-15-5-8-21-9-6-15/h1-6,8-9,11,13-14,23H,7,10,12H2
InChIKeyFPBLXPAIVXHBQC-UHFFFAOYSA-N
XLogP3.29
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]methanone
CID 109236521
2,3-dihydroindol-1-yl-[5-(2-methoxyethylamino)-3-pyridinyl]methanone
CID 109227903
2,3-dihydroindol-1-yl-[5-(pentylamino)-3-pyridinyl]methanone
CID 109240141
[5-(cyclopropylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109223844
3,4-dihydro-2H-quinolin-1-yl-[5-[(2-methylphenyl)methylamino]-3-pyridinyl]methanone
CID 109232136
[5-(butan-2-ylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109225396
3-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-4-ylmethyl)benzamide
CID 109055189
3,4-dihydro-2H-quinolin-1-yl-[5-(3-phenylpropylamino)-3-pyridinyl]methanone
CID 109239100
2,3-dihydroindol-1-yl-[5-(3,5-dimethylanilino)-3-pyridinyl]methanone
CID 109242381
2,3-dihydroindol-1-yl-[2-methyl-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone
CID 109371243
4-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109087630
3,4-dihydro-2H-quinolin-1-yl-[5-[3-(dimethylamino)propylamino]-3-pyridinyl]methanone
CID 109229964

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[5-(pyridin-4-ylmethylamino)-3-pyridinyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[5-(pyridin-4-ylmethylamino)-3-pyridinyl]methanone (CID 109235678) is 2,3-dihydroindol-1-yl-[5-(pyridin-4-ylmethylamino)-3-pyridinyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[5-(pyridin-4-ylmethylamino)-3-pyridinyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[5-(pyridin-4-ylmethylamino)-3-pyridinyl]methanone is O=C(c1cncc(NCc2ccncc2)c1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[5-(pyridin-4-ylmethylamino)-3-pyridinyl]methanone?
The InChIKey is FPBLXPAIVXHBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c25-20(24-10-7-16-3-1-2-4-19(16)24)17-11-18(14-22-13-17)23-12-15-5-8-21-9-6-15/h1-6,8-9,11,13-14,23H,7,10,12H2.
What are the key properties of 2,3-dihydroindol-1-yl-[5-(pyridin-4-ylmethylamino)-3-pyridinyl]methanone?
2,3-dihydroindol-1-yl-[5-(pyridin-4-ylmethylamino)-3-pyridinyl]methanone has a molecular weight of 330.39 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[5-(pyridin-4-ylmethylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 109235678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).